C4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | O14 | sing | 1.43Å | 1.43Å | |
| O14 | C13 | sing | 1.36Å | 1.36Å | |
| C13 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C9 | C1 | sing | 1.46Å | 1.49Å | Aromatic |
| C9 | C8 | doub | 1.34Å | 1.34Å | Aromatic |
| C1 | C6 | doub | 1.41Å | 1.35Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | N7 | sing | 1.37Å | 1.28Å | Aromatic |
| N7 | C6 | sing | 1.37Å | 1.35Å | Aromatic |
| C6 | N5 | sing | 1.33Å | 1.37Å | Aromatic |
| N5 | C4 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | O14 | C13 | 120.8° | 117.0° |
| O14 | C15 | H15 | 109.5° | 109.5° |
| O14 | C15 | H15A | 109.5° | 109.4° |
| O14 | C15 | H15B | 109.5° | 109.4° |
| O14 | C13 | C16 | 120.9° | 120.0° |
| O14 | C13 | C12 | 117.7° | 120.1° |
| C16 | C13 | C12 | 121.3° | 119.9° |
| C13 | C16 | C17 | 118.2° | 119.9° |
| C13 | C16 | H16 | 120.9° | 120.0° |
| C13 | C12 | C11 | 120.2° | 119.9° |
| C13 | C12 | H12 | 119.9° | 120.0° |
| C16 | C17 | C18 | 120.1° | 120.1° |
| C17 | C16 | H16 | 120.9° | 120.1° |
| C16 | C17 | H17 | 119.9° | 119.9° |
| C17 | C18 | C11 | 121.5° | 120.2° |
| C18 | C17 | H17 | 119.9° | 120.0° |
| C17 | C18 | H18 | 119.2° | 120.0° |
| C18 | C11 | C12 | 118.6° | 120.0° |
| C18 | C11 | C10 | 121.6° | 120.0° |
| C11 | C18 | H18 | 119.2° | 119.9° |
| C12 | C11 | C10 | 119.8° | 120.0° |
| C11 | C12 | H12 | 119.9° | 120.1° |
| C11 | C10 | C9 | 111.0° | 109.5° |
| C11 | C10 | H10 | 108.9° | 109.5° |
| C11 | C10 | H10A | 108.6° | 109.5° |
| C10 | C9 | C1 | 129.1° | 126.6° |
| C10 | C9 | C8 | 127.5° | 126.5° |
| C9 | C10 | H10 | 108.9° | 109.5° |
| C9 | C10 | H10A | 108.6° | 109.5° |
| C1 | C9 | C8 | 103.3° | 106.9° |
| C9 | C1 | C6 | 105.5° | 106.2° |
| C9 | C1 | C2 | 133.8° | 134.3° |
| C9 | C8 | N7 | 112.2° | 109.9° |
| C9 | C8 | H8 | 123.9° | 125.0° |
| C6 | C1 | C2 | 120.7° | 119.5° |
| C1 | C6 | N7 | 108.1° | 107.0° |
| C1 | C6 | N5 | 122.7° | 119.8° |
| C1 | C2 | C3 | 117.0° | 118.0° |
| C1 | C2 | H2 | 121.5° | 120.9° |
| C8 | N7 | C6 | 110.9° | 110.1° |
| N7 | C8 | H8 | 123.9° | 125.1° |
| C8 | N7 | HN7 | 124.6° | 124.9° |
| N7 | C6 | N5 | 129.1° | 133.2° |
| C6 | N7 | HN7 | 124.6° | 125.0° |
| C6 | N5 | C4 | 118.6° | 121.7° |
| N5 | C4 | C3 | 120.8° | 121.6° |
| N5 | C4 | H4 | 119.6° | 119.2° |
| C4 | C3 | C2 | 120.3° | 119.4° |
| C3 | C4 | H4 | 119.6° | 119.2° |
| C4 | C3 | H3 | 119.8° | 120.3° |
| C2 | C3 | H3 | 119.9° | 120.3° |
| C3 | C2 | H2 | 121.5° | 121.0° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.4° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H10 | C10 | H10A | 110.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | O14 | C13 | C16 | 31.8° | 0.0° |
| C15 | O14 | C13 | C12 | 148.5° | 179.7° |
| O14 | C15 | H15 | H15A | 120.0° | 119.9° |
| O14 | C15 | H15 | H15B | 120.0° | 120.0° |
| O14 | C15 | H15A | H15B | 120.0° | 120.0° |
| O14 | C13 | C16 | C12 | 179.7° | 179.7° |
| O14 | C13 | C16 | C17 | 179.2° | 179.9° |
| O14 | C13 | C12 | C11 | 179.8° | 179.8° |
| C13 | O14 | C15 | H15 | 11.9° | 180.0° |
| C13 | O14 | C15 | H15A | 108.1° | 60.0° |
| C13 | O14 | C15 | H15B | 131.8° | 60.0° |
| O14 | C13 | C16 | H16 | 0.8° | 0.0° |
| O14 | C13 | C12 | H12 | 0.2° | 0.0° |
| C13 | C16 | C17 | H16 | 180.0° | 180.0° |
| C13 | C16 | C17 | C18 | 0.6° | 0.1° |
| C16 | C13 | C12 | C11 | 0.5° | 0.5° |
| C13 | C16 | C17 | H17 | 179.4° | 180.0° |
| C16 | C13 | C12 | H12 | 179.5° | 179.7° |
| C12 | C13 | C16 | C17 | 1.0° | 0.2° |
| C13 | C12 | C11 | C18 | 0.5° | 0.5° |
| C13 | C12 | C11 | H12 | 180.0° | 179.8° |
| C13 | C12 | C11 | C10 | 178.4° | 179.7° |
| C12 | C13 | C16 | H16 | 179.0° | 179.8° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C11 | 0.4° | 0.1° |
| C16 | C17 | C18 | H18 | 179.6° | 180.0° |
| C17 | C18 | C11 | H18 | 180.0° | 180.0° |
| C17 | C18 | C11 | C12 | 1.0° | 0.2° |
| C17 | C18 | C11 | C10 | 178.8° | 180.0° |
| C18 | C17 | C16 | H16 | 179.4° | 179.9° |
| C18 | C11 | C12 | C10 | 177.9° | 179.8° |
| C18 | C11 | C10 | C9 | 95.7° | 90.1° |
| C11 | C18 | C17 | H17 | 179.6° | 180.0° |
| C18 | C11 | C12 | H12 | 179.5° | 179.7° |
| C18 | C11 | C10 | H10 | 144.3° | 149.9° |
| C18 | C11 | C10 | H10A | 23.6° | 30.0° |
| C12 | C11 | C10 | C9 | 82.1° | 89.8° |
| C12 | C11 | C18 | H18 | 179.0° | 179.8° |
| C12 | C11 | C10 | H10 | 37.8° | 30.2° |
| C12 | C11 | C10 | H10A | 158.5° | 150.2° |
| C11 | C10 | C9 | H10 | 120.0° | 120.0° |
| C11 | C10 | C9 | H10A | 119.4° | 120.0° |
| C11 | C10 | C9 | C1 | 178.4° | 85.0° |
| C11 | C10 | C9 | C8 | 1.2° | 95.3° |
| C10 | C11 | C18 | H18 | 1.1° | 0.1° |
| C10 | C11 | C12 | H12 | 1.6° | 0.1° |
| C11 | C10 | H10 | H10A | 119.4° | 120.0° |
| C10 | C9 | C1 | C8 | 179.7° | 179.7° |
| C10 | C9 | C1 | C6 | 179.7° | 180.0° |
| C10 | C9 | C1 | C2 | 1.2° | 0.0° |
| C10 | C9 | C8 | N7 | 179.5° | 180.0° |
| C9 | C10 | H10 | H10A | 119.4° | 120.0° |
| C10 | C9 | C8 | H8 | 0.6° | 0.0° |
| C9 | C1 | C6 | C2 | 178.7° | 180.0° |
| C1 | C9 | C8 | N7 | 0.3° | 0.3° |
| C9 | C1 | C6 | N7 | 0.2° | 0.2° |
| C9 | C1 | C6 | N5 | 178.5° | 180.0° |
| C9 | C1 | C2 | C3 | 178.4° | 180.0° |
| C1 | C9 | C10 | H10 | 58.5° | 35.0° |
| C1 | C9 | C10 | H10A | 62.2° | 155.0° |
| C1 | C9 | C8 | H8 | 179.7° | 179.7° |
| C9 | C1 | C2 | H2 | 1.7° | 0.0° |
| C8 | C9 | C1 | C6 | 0.1° | 0.3° |
| C8 | C9 | C1 | C2 | 178.5° | 179.7° |
| C9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C9 | C8 | N7 | C6 | 0.4° | 0.1° |
| C8 | C9 | C10 | H10 | 121.2° | 144.7° |
| C8 | C9 | C10 | H10A | 118.1° | 24.7° |
| C9 | C8 | N7 | HN7 | 179.6° | 180.0° |
| C1 | C6 | N7 | C8 | 0.3° | 0.1° |
| C1 | C6 | N7 | N5 | 178.2° | 179.8° |
| C1 | C6 | N5 | C4 | 0.4° | 0.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | C6 | N7 | HN7 | 179.7° | 179.8° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C2 | C1 | C6 | N7 | 178.5° | 179.8° |
| C2 | C1 | C6 | N5 | 0.2° | 0.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C8 | N7 | C6 | HN7 | 180.0° | 179.9° |
| C8 | N7 | C6 | N5 | 178.5° | 179.8° |
| N7 | C6 | N5 | C4 | 178.3° | 179.8° |
| C6 | N7 | C8 | H8 | 179.6° | 179.8° |
| C6 | N5 | C4 | C3 | 0.2° | 0.0° |
| N5 | C6 | N7 | HN7 | 1.5° | 0.1° |
| C6 | N5 | C4 | H4 | 179.8° | 180.0° |
| N5 | C4 | C3 | H4 | 180.0° | 179.9° |
| N5 | C4 | C3 | C2 | 0.1° | 0.0° |
| N5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 179.7° | 180.0° |
| C2 | C3 | C4 | H4 | 179.9° | 179.9° |
| H15 | C15 | H15A | H15B | 120.0° | 120.1° |
| H16 | C16 | C17 | H17 | 0.6° | 0.0° |
| H17 | C17 | C18 | H18 | 0.5° | 0.0° |
| H8 | C8 | N7 | HN7 | 0.4° | 0.0° |
| H4 | C4 | C3 | H3 | 0.1° | 0.1° |
| H3 | C3 | C2 | H2 | 0.2° | 0.0° |
